General Information of the Compound
| Compound ID |
CP0868347
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| Compound Name |
SID144190662
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| Formula |
C25H23N3O2S
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| Molecular Weight |
429.545
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| Canonical SMILES |
Cc1ccccc1S(=O)(=O)N1C[C@@H]2N[C@H](C1)[C@H]2c1ccc(-c2cccc(C#N)c2)cc1
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| InChI |
InChI=1S/C25H23N3O2S/c1-17-5-2-3-8-24(17)31(29,30)28-15-22-25(23(16-28)27-22)20-11-9-19(10-12-20)21-7-4-6-18(13-21)14-26/h2-13,22-23,25,27H,15-16H2,1H3/t22-,23+,25-
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| InChIKey |
BJJUXPOPPBAHSF-YXFZHOHLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound